SCHEMBL23733367

SCHEMBL23733367

CC(=O)NCCC(C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA4 P43681 1/20 0.41
PAOX Q6QHF9 3/20 0.40
ADRA1A P35348 1/20 0.39
F13A1 P00488 1/20 0.35
FOLH1 Q04609 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16297552 1.00 KDM4E (0.48) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL16924565 0.91 KDM4E (0.44) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL21016409 0.83 KDM4E (0.64) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL21015405 0.83 KDM4E (0.64) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL800814 0.80
SCHEMBL23788919 0.79 KMT2A (0.42) MAPK1TSHRALDH1A1CHRNB2CHRNB4
SCHEMBL18478347 0.78
SCHEMBL6636082 0.78
SCHEMBL21015242 0.77 KDM4E (0.44) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL21431246 0.76 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021155267-A2 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF MODERNATX, INC. (US) 2021-08-05 WO disclosed